Water confined in the local field of ions

Dušan Kojić, Roumiana Tsenkova, Katsufumi Tomobe, Kenji Yasuoka, Masato Yasui

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

Interionic distances are shorter in concentrated ionic solutions, thus instigating the interaction and overlap of hydration shells, as ions become separated by only one or two layers of water molecules. The simultaneous interaction of water with two oppositely charged ions has, so far, only been investigated by computer simulation studies, because the isolated vibrational spectroscopic signature of these molecules remains undetected. Our combined near-infrared spectroscopic and molecular dynamics simulation studies of alkali halide solutions present a distinct spectral feature, which is highly responsive to depletion of bulk water and merging of hydration shells. The analysis of this spectral feature demonstrates that absorption trends are in good agreement with the law of matching affinities, thus providing the first successful vibrational spectroscopic treatment of this topic. Combined with commonly observed near-infrared bands, this feature provides a spectral pattern that describes some relevant aspects of ionic hydration.

Original languageEnglish
Pages (from-to)4077-4086
Number of pages10
JournalChemPhysChem
Volume15
Issue number18
DOIs
Publication statusPublished - 2014 Dec 15

Fingerprint

Hydration
hydration
Ions
Water
water
Infrared radiation
Alkali halides
ions
Molecules
Computer simulation
alkali halides
Merging
affinity
Molecular dynamics
molecules
depletion
computerized simulation
signatures
interactions
molecular dynamics

Keywords

  • Hydrogen bonds
  • Ion pairs
  • Molecular dynamics
  • Near-infrared spectroscopy
  • Water chemistry

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Atomic and Molecular Physics, and Optics

Cite this

Water confined in the local field of ions. / Kojić, Dušan; Tsenkova, Roumiana; Tomobe, Katsufumi; Yasuoka, Kenji; Yasui, Masato.

In: ChemPhysChem, Vol. 15, No. 18, 15.12.2014, p. 4077-4086.

Research output: Contribution to journalArticle

Kojić, D, Tsenkova, R, Tomobe, K, Yasuoka, K & Yasui, M 2014, 'Water confined in the local field of ions', ChemPhysChem, vol. 15, no. 18, pp. 4077-4086. https://doi.org/10.1002/cphc.201402381
Kojić, Dušan ; Tsenkova, Roumiana ; Tomobe, Katsufumi ; Yasuoka, Kenji ; Yasui, Masato. / Water confined in the local field of ions. In: ChemPhysChem. 2014 ; Vol. 15, No. 18. pp. 4077-4086.
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